CID 3055498

72536-01-7

Structural Information

Molecular Formula
C19H28O3
SMILES
CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCC=C(C)C)O)C
InChI
InChI=1S/C19H28O3/c1-12(2)8-7-10-19(6,22)11-9-16-15(5)17(20)13(3)14(4)18(16)21/h8,22H,7,9-11H2,1-6H3
InChIKey
XBCVZPHYCOXGAQ-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-3,7-dimethyloct-6-enyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

304.20386 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 175.6
[M+Na]+ 327.19308 186.0
[M+NH4]+ 322.23768 180.9
[M+K]+ 343.16702 180.6
[M-H]- 303.19658 175.1
[M+Na-2H]- 325.17853 177.2
[M]+ 304.20331 176.8
[M]- 304.20441 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe